CID 154699782

Ns00117516

Structural Information

Molecular Formula
C15H18O9
SMILES
CCOC(=O)C1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C15H18O9/c1-2-22-14(21)7-3-5-8(6-4-7)23-15-11(18)9(16)10(17)12(24-15)13(19)20/h3-6,9-12,15-18H,2H2,1H3,(H,19,20)/t9-,10-,11+,12-,15?/m0/s1
InChIKey
LZYNMJNOTCVYBQ-VDQYPUQXSA-N
Compound name
(2S,3S,4S,5R)-6-(4-ethoxycarbonylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.0951 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.102376 172.1
[M+Na]+ 365.084318 176.9
[M-H]- 341.087824 174.2
[M+NH4]+ 360.128923 181.1
[M+K]+ 381.058258 177.1
[M+H-H2O]+ 325.092360 165.0
[M+HCOO]- 387.093301 184.9
[M+CH3COO]- 401.108951 203.1
[M+Na-2H]- 363.069766 170.9
[M]+ 342.09455142 173.1
[M]- 342.09564858 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.